| SpectraBase Compound ID | 5qRgS0nlybV |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-2-21-18(20)16-11-22-15-10-13(8-9-14(15)23-16)17(19)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3 |
| InChIKey | XTWVROHBRZMMIS-UHFFFAOYSA-N |
| Mol Weight | 312.32 g/mol |
| Molecular Formula | C18H16O5 |
| Exact Mass | 312.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JbTd0GqaiEy |
|---|---|
| Name | Ethyl 6-benzoyl-2,3-dihydro-1,4-benzodioxin-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.099773610 u |
| Formula | C18H16O5 |
| InChI | InChI=1S/C18H16O5/c1-2-21-18(20)16-11-22-15-10-13(8-9-14(15)23-16)17(19)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3 |
| InChIKey | XTWVROHBRZMMIS-UHFFFAOYSA-N |
| SMILES | C1(OC2=CC=C(C=C2OC1)C(=O)C1=CC=CC=C1)C(=O)OCC |